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Nature of Alkali‐ and Coinage‐Metal Bonds versus Hydrogen Bonds
We have quantum chemically studied the structure and nature of alkali‐ and coinage‐metal bonds (M‐bonds) versus that of hydrogen bonds between A−M and B(−) in archetypal [A−M⋅⋅⋅B](−) model systems (A, B=F, Cl and M=H, Li, Na, Cu, Ag, Au), using relativistic density functional theory at ZORA‐BP86‐D3/...
Autores principales: | Larrañaga, Olatz, Arrieta, Ana, Fonseca Guerra, Célia, Bickelhaupt, F. Matthias, de Cózar, Abel |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7898866/ https://www.ncbi.nlm.nih.gov/pubmed/33372401 http://dx.doi.org/10.1002/asia.202001201 |
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